N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide

C15H20N2O2 — CID 80602105

IUPACN-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CC3CCC2O3)cc1
InChIInChI=1S/C15H20N2O2/c1-10(18)17-12-4-2-11(3-5-12)9-16-14-8-13-6-7-15(14)19-13/h2-5,13-16H,6-9H2,1H3,(H,17,18)
InChIKeyMFEFXSPYVZJZPE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds4

About N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide

N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 80602105) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
PubChem CID80602105
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CC3CCC2O3)cc1
InChIInChI=1S/C15H20N2O2/c1-10(18)17-12-4-2-11(3-5-12)9-16-14-8-13-6-7-15(14)19-13/h2-5,13-16H,6-9H2,1H3,(H,17,18)
InChIKeyMFEFXSPYVZJZPE-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoate
CID 80715814
2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80714508
N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602681
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119039707
1-[4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)phenyl]ethanone
CID 114468330
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601702
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
N-[(1-propylpyrrol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714698
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602680
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide (CID 80602105) is N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2CC3CCC2O3)cc1.
What is the InChIKey of N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is MFEFXSPYVZJZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(18)17-12-4-2-11(3-5-12)9-16-14-8-13-6-7-15(14)19-13/h2-5,13-16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide?
N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 80602105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).